SCHEMBL5138035

SCHEMBL5138035

COc1cc(CN(Cc2ccc(C)cc2)C(=O)c2ccccc2-n2cccc2)cc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
TSHR P16473 6/20 0.47
KLK1 P06870 1/20 0.42
SLC2A1 P11166 1/20 0.42
LPAR1 Q92633 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TACR1 P25103 1/20 0.41
LPAR3 Q9UBY5 1/20 0.41
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5135328 0.92 TDP1 (0.58) TDP1TSHRKLK1SLC2A1LPAR1
SCHEMBL5136943 0.92 TSHR (0.51) TDP1TSHRKLK1SLC2A1LPAR1
SCHEMBL5135018 0.88 SLC2A1 (0.47) TDP1TSHRKLK1SLC2A1LPAR1
SCHEMBL5053435 0.86 TSHR (0.51) TDP1TSHRALDH1A1MAPK1HPGD
SCHEMBL5134937 0.86 TSHR (0.47) TDP1TSHRKLK1L3MBTL1ALDH1A1
SCHEMBL5136635 0.84 MAPT (0.44) TDP1TSHRLPAR1L3MBTL1ALDH1A1
SCHEMBL5135828 0.82 TDP1 (0.57) TDP1TSHRKLK1SLC2A1ALDH1A1
SCHEMBL5134683 0.82 TSHR (0.50) TDP1TSHRKLK1SLC2A1LPAR1
SCHEMBL5137148 0.82 TSHR (0.40) TDP1TSHRKLK1L3MBTL1TACR1
SCHEMBL5136780 0.82 TSHR (0.40) TDP1TSHRL3MBTL1TACR1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7148225-B2 Substituted biaryl amides as C5A receptor modulators NEUROGEN CORPORATION (US) 2006-12-12 US claimed
EP-1487796-A4 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2005-11-16 EP claimed
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2005-05-05 US claimed
EP-1487796-A1 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-12-22 EP claimed
US-20040048913-A1 Substituted biaryl amides as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-03-11 US claimed
WO-2003082826-A1 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 WO claimed
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
US-7291621-B2 Substituted biaryl amides C5a receptor modulators NEUROGEN CORPORATION (US) 2007-11-06 US disclosed
US-7291621-B2 Substituted biaryl amides C5a receptor modulators NEUROGEN CORPORATION (US) 2007-11-06 US disclosed
US-7291621-B2 Substituted biaryl amides C5a receptor modulators NEUROGEN CORPORATION (US) 2007-11-06 US disclosed
US-7148225-B2 Substituted biaryl amides as C5A receptor modulators NEUROGEN CORPORATION (US) 2006-12-12 US disclosed
US-20060178414-A1 Substituted biaryl amides as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2006-08-10 US disclosed
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2005-05-05 US disclosed
US-6858637-B2 Treating rheumatoid arthritis, psoriasis, cardiovascular disease, reperfusion injury, and bronchial asthma; e.g., 2-Methoxynaphthalene-1-carboxylic acid benzyl-indan-2-yl-amide NEUROGEN CORPORATION (US) 2005-02-22 US disclosed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040048913-A1 Substituted biaryl amides as C5a receptor modulators C5AR1, C5AR2, C3AR1 TDP1 4028/4885TSHR 207/4885KLK1 3594/4885
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators C5AR1, C5AR2, C3AR1 TDP1 4185/4885TSHR 198/4885KLK1 3699/4885
US-20060178414-A1 Substituted biaryl amides as C5a receptor modulators C5AR1, C5AR2, C3AR1 TDP1 4185/4885TSHR 198/4885KLK1 3699/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.